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Article

Simulations of Pathogenic E1α Variants: Allostery and Impact on Pyruvate Dehydrogenase Complex-E1 Structure and Function.

Journal of chemical information and modeling - 25 Jul 2022

Gokcan Hatice, Bedoyan Jirair K, Isayev Olexandr

Abstract excerpt

Pyruvate dehydrogenase complex (PDC) deficiency is a major cause of primary lactic acidemia resulting in high morbidity and mortality, with limited therapeutic options. The E1 component of the mitochondrial multienzyme PDC (PDC-E1) is a symmetric dimer of heterodimers (αβ/α'β') encoded by the PDHA1 and PDHB genes, with two symmetric active sites each consisting of highly conserved phosphorylation loops A and B....

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Identifiers

PMID: 35797142
DOI: 10.1021/acs.jcim.2c00630
PMCID: PMC9329271

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